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エチル硫酸

Ethyl Sulfate

HCID 6004
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
540-82-9
標準SMILES
CCOS(=O)(=O)O
InChIKey
KIWBPDUYBMNFTB-UHFFFAOYSA-N
分子式
C2H6O4S
平均分子量
126.13 g/mol
単同位体質量
125.99867984

概要

Alkylsulfuric acids are colorless, oily liquids. They are soluble in water and weigh more than water. Contact with the material may cause severe irritation to skin, eyes, and mucous membranes. It may be toxic by ingestion, inhalation and skin absorption. It is used to make other chemicals.

名称と識別子

優先名称
Ethyl Sulfate
IUPAC
ethyl hydrogen sulfate
現地名
エチル硫酸
英語名
ethyl hydrogen sulphate
分子式
C2H6O4S
分子量
126.13

名称と別名

ethyl hydrogen sulfateEthyl sulfate540-82-9Monoethyl sulfateEthoxysulfonic acidSULFURIC ACID, MONOETHYL ESTERP3LK0HF3B7DTXSID10862151RefChem:921306DTXCID50197494208-758-6Sulfovinic acid
名称をさらに表示
エチルスルファートスルフェチル酸スルホビン酸硫酸水素エチルエチル=水素=スルファートエチル硫酸EthylhydrogensulfatEthyl sulfate (7CI)Ethy Hydrogen SulphateGlimepiride Impurity 29Ethyl sulfate free-forMsulfuric acid ethyl esterMedidrug ALCM Urine Level 3
Sulfethylic acidEthyl hydrogen sulphateethylsulfuric acidEthylsulphuric acidEthyl sulphateSulfuric acid monoethyl esterUNII-P3LK0HF3B7Monoethyl sulphate

データベース識別子

CAS
540-82-9
PubChem CID
6004
DTXSID
DTXSID10862151
ChEBI
CHEBI:156187
UNII
P3LK0HF3B7
EC Number
208-758-6
Nikkaji
J23.996H

物性

構造計算による物性

XLogP
-0.5
極性表面積
72 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
2
重原子数
7
形式電荷
0
複雑度
117

実験および物理化学的性質

Chemical ClassesCorrosives
Physical Description · 1 件

Alkylsulfuric acids are colorless, oily liquids. They are soluble in water and weigh more than water. Contact with the material may cause severe irritation to skin, eyes, and mucous membranes. It may be toxic by ingestion, inhalation and skin absorption. It is used to make other chemicals.

物理化学的性質

融点
-32 °C · -32°C (estimate)
沸点
280 °C · 280°C
比重(密度)
1.46 g/cm3 · 1.46 g/cm3
屈折率
1.4105 · 1.4105
外見
液体(推定)
酸解離定数(Pka)
-3.14 · -3.14±0.15(Predicted)
安定性
安定。強力な酸化剤、金属との不適合
CAS データベース
540 · 540-82-9
EPAの化学物質情報
Sulfuric acid, monoethyl ester (540-82-9)

化学的性質

化学的特性Colorless, oily liquid; boils at 280°C (536°F)(decomposes); density 1.367; highly solublein water; hydrolyzes forming sulfuric acid.

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 9.3% (4 of 43) of reports.

Danger

H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Sulfuric acid, monoethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Health HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Reactive GroupAcids, Strong Oxidizing
Reactivity AlertsKnown Catalytic Activity
Reactivity Profile · 1 件

Oxidizing acids are generally soluble in water with the release of hydrogen ions. The resulting solutions have pH's of less than 7.0. Materials in this group react with chemical bases (for example: amines and inorganic hydroxides) to form salts. These neutralization reactions occur as the base accepts hydrogen ions that the acid donates. Neutralizations can generate dangerously large amounts of heat in small spaces. The dissolution of acids in water or the dilution of their concentrated solutions with water may generate significant heat. The addition of water acids often generates sufficient heat in the small region of mixing to boil some of the water explosively. The resulting "bumping" spatters acid widely. These materials have significant ability as oxidizing agents. but that ability varies (for example, from high for nitric acid to low for sulfuric acid and most sulfonic acids). They can react with active metals, including iron and aluminum, and also many less active metals, to dissolve the metal and liberate hydrogen and/or toxic gases. Like other acids, materials in this group can initiate polymerization in certain classes of organic compounds. Their reactions with cyanide salts and compounds release gaseous hydrogen cyanide. Flammable and/or toxic gases are also often generated by their reactions with dithiocarbamates, isocyanates, mercaptans, nitrides, nitriles, sulfides, and weak or strong reducing agents. Additional gas-generating reactions occur with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), and even carbonates: the carbon dioxide gas from the last is nontoxic but the heat and spattering from the reaction can be troublesome. Acids often catalyze (increase the rate) of chemical reactions.

Air and Water ReactionsThey are soluble in water and weigh more than water. Heat may be generated by dissolution into water.
Hazard Classes and Categories · 2 件

Skin Irrit. 2 (90.7%)

Corrosives, Reactive agents - 1st degree

安全と保護具

Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
First AidExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

安全データ

tsca
TSCA listed
ridadr
2571
化審法
新規公示化学物質(2011年3月31日以前届出);優先評価化学物質
hazard_class
8
packing_group
II

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Highly reactive chemicals that introduce alkyl radicals into biologically active molecules and thereby prevent their proper functioning. Many are used as antineoplastic agents, but most are very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. They have also been used as components in poison gases.

Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.

Cellular LocationsCytoplasm

用途と製造

Household ProductsInformation on 3 consumer products that contain Ethyl sulfate in the following categories is provided:
General Manufacturing InformationSulfuric acid, monoethyl ester: ACTIVE
応用分野 · 3 件

解説C2H5OSO3H(126.13).硫酸水素エチルともいう.エタノールと硫酸,またはエテンと濃硫酸から得られる.シロップ状の吸湿性の液体.d204 1.3659.n20D 1.4105.水に溶け,徐々に硫酸とエタノールに分解する.蒸留により硫酸ジエチル(C2H5O)2SO2を生じる.エタノールと加熱するとジエチルエーテルを生じる.各種の金属塩は安定である.[CAS 540-82-9]森北出版「化学辞典(第2版)

使用Ethyl hydrogen sulfate is used as an intermediate in the synthesis of ethanol from ethylene.

一般的な説明ethyl hydrogen sulphate are colorless, oily liquids. They are soluble in water and weigh more than water. Contact with the material may cause severe irritation to skin, eyes, and mucous membranes. ethyl hydrogen sulphate may be toxic by ingestion, inhalation and skin absorption. ethyl hydrogen sulphate is used to make other chemicals.

上流・下流製品情報

上流原料

発煙硫酸Flow CellN-(4-クロロフェニル)アセトヒドロキサム酸1,2-Ethanediol, bis(hydrogen sulfate)6-クロロ-2,4-ジニトロアニリン硫酸ジエチルエタンチオりん酸ジエチルジエチルエーテル (無水)水和物エタノールエテンヨウ化エチル

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